CID 514878

Methanone, (4-(4-(methylsulfonyl)phenoxy)phenyl)phenyl-

Structural Information

Molecular Formula
C20H16O4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16O4S/c1-25(22,23)19-13-11-18(12-14-19)24-17-9-7-16(8-10-17)20(21)15-5-3-2-4-6-15/h2-14H,1H3
InChIKey
IVGZMLRAOPYXIF-UHFFFAOYSA-N
Compound name
[4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

352.07693 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08421 181.1
[M+Na]+ 375.06615 188.8
[M-H]- 351.06965 191.1
[M+NH4]+ 370.11075 193.8
[M+K]+ 391.04009 183.9
[M+H-H2O]+ 335.07419 172.3
[M+HCOO]- 397.07513 198.5
[M+CH3COO]- 411.09078 209.1
[M+Na-2H]- 373.05160 184.2
[M]+ 352.07638 184.9
[M]- 352.07748 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe